#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 1.36 -4.65 2.46 4.77 -1.26 -4.91 117.00 114.78 1n8j n LEU 2 Ca 0.00 -0.45 -0.45 0.00 -0.03 0.00 0.00 56.01 55.08 1n8j n LEU 2 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1n8j n LEU 2 CO 0.00 0.26 0.87 0.00 -1.33 0.00 0.00 177.39 177.19 1n8j n ILE 3 N -0.57 1.35 -1.20 -0.08 0.13 -1.26 -1.36 119.36 116.36 1n8j n ILE 3 Ca 0.10 -0.34 -0.07 0.00 -1.10 0.00 0.00 62.75 61.34 1n8j n ILE 3 Cb 0.39 -1.31 -0.03 0.00 -0.84 0.00 0.00 39.64 37.85 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 1.67 -4.81 -4.79 9.51 4.05 -0.02 -4.98 115.26 115.89 1n8j n ASN 4 Ca 0.10 0.17 -0.22 0.00 0.45 0.00 0.00 54.58 55.09 1n8j n ASN 4 Cb 0.31 -2.93 -0.05 0.00 1.23 0.00 0.00 39.78 38.34 1n8j n ASN 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n8j s THR 5 N -1.94 3.84 0.15 -0.44 -4.23 -0.46 -4.81 115.64 107.74 1n8j s THR 5 Ca 0.00 -1.52 -0.19 0.00 -1.18 0.00 0.00 61.69 58.80 1n8j s THR 5 Cb 0.00 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 1n8j s THR 5 CO 0.00 -0.29 0.63 -0.75 -0.54 0.00 0.00 174.62 173.68 1n8j s LYS 6 N -3.85 4.19 0.72 3.99 2.20 -1.26 -1.54 119.74 124.19 1n8j s LYS 6 Ca 0.35 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.59 1n8j s LYS 6 Cb -0.06 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1n8j s LYS 6 CO 0.24 0.51 1.11 0.96 -0.36 0.00 0.00 175.35 177.81 1n8j s ILE 7 N -1.34 3.21 0.13 5.43 -4.36 -0.29 -4.97 121.20 119.01 1n8j s ILE 7 Ca 0.36 0.48 -0.00 0.00 -0.26 0.00 0.00 60.65 61.23 1n8j s ILE 7 Cb -0.18 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 1n8j s ILE 7 CO 0.20 -0.43 0.30 -0.54 0.24 0.00 0.00 174.94 174.71 1n8j s LYS 8 N -4.47 3.48 0.53 0.37 1.02 -1.26 -5.05 119.74 114.36 1n8j s LYS 8 Ca 0.65 -0.41 -0.22 0.00 0.02 0.00 0.00 55.97 56.01 1n8j s LYS 8 Cb -0.19 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.11 1n8j s LYS 8 CO 0.49 0.51 1.17 -0.35 -0.92 0.00 0.00 175.35 176.25 1n8j n PRO 9 N -0.21 1.42 -3.63 -1.68 -0.04 -1.26 -4.89 135.00 124.71 1n8j n PRO 9 Ca -0.05 0.53 -0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1n8j n PRO 9 Cb 0.53 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1n8j s PHE 10 N -1.34 -0.22 -0.21 0.54 -0.12 -1.26 -4.99 117.98 110.38 1n8j s PHE 10 Ca 0.70 -0.08 -0.04 0.00 -0.05 0.00 0.00 56.93 57.46 1n8j s PHE 10 Cb -0.45 0.32 0.11 0.00 -0.63 0.00 0.00 43.02 42.36 1n8j s PHE 10 CO 0.51 -0.76 0.32 0.21 -0.05 0.00 0.00 175.22 175.45 1n8j s LYS 11 N -3.81 0.27 0.08 1.99 2.20 -1.26 -3.11 119.74 116.10 1n8j s LYS 11 Ca 0.04 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1n8j s LYS 11 Cb 0.01 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 1n8j s LYS 11 CO -0.10 -0.56 -0.07 -0.80 -0.36 0.00 0.00 175.35 173.46 1n8j s ASN 12 N 2.47 1.04 0.23 1.43 -0.87 -0.39 -4.98 114.94 113.87 1n8j s ASN 12 Ca 0.08 -0.83 -0.14 0.00 -1.57 0.00 0.00 52.86 50.40 1n8j s ASN 12 Cb -0.15 0.07 -0.08 0.00 -0.02 0.00 0.00 41.25 41.08 1n8j s ASN 12 CO -0.13 -0.37 0.62 -1.10 -2.57 0.00 0.00 177.10 173.56 1n8j s GLN 13 N -2.98 3.96 0.12 -0.60 -1.52 -1.26 -0.61 119.66 116.77 1n8j s GLN 13 Ca 0.04 0.52 -0.08 0.00 -1.95 0.00 0.00 55.36 53.89 1n8j s GLN 13 Cb -0.01 -2.69 -0.01 0.00 -0.22 0.00 0.00 33.01 30.09 1n8j s GLN 13 CO -0.03 0.32 0.21 0.00 -0.25 0.00 0.00 175.29 175.55 1n8j s ALA 14 N -1.73 -0.05 -0.17 6.09 0.00 0.95 -0.80 121.76 126.05 1n8j s ALA 14 Ca 0.46 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1n8j s ALA 14 Cb -0.13 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1n8j s ALA 14 CO 0.20 -0.55 -0.06 0.12 0.00 0.00 0.00 175.76 175.46 1n8j s PHE 15 N -3.91 2.96 -0.11 0.00 5.36 -0.28 -0.95 117.98 121.05 1n8j s PHE 15 Ca 0.11 -0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 55.51 1n8j s PHE 15 Cb 0.05 -1.97 0.05 0.00 -0.34 0.00 0.00 43.02 40.81 1n8j s PHE 15 CO -0.06 -0.20 0.24 0.21 -1.46 0.00 0.00 175.22 173.94 1n8j s LYS 16 N 0.65 0.15 -1.09 10.12 2.20 -0.27 -0.76 119.74 130.74 1n8j s LYS 16 Ca -0.03 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1n8j s LYS 16 Cb -0.15 -0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1n8j s LYS 16 CO 0.02 -0.23 0.56 0.09 -0.36 0.00 0.00 175.35 175.43 1n8j n ASN 17 N 4.82 -3.30 0.00 1.43 3.02 -1.26 -0.93 115.26 119.04 1n8j n ASN 17 Ca -0.15 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1n8j n ASN 17 Cb 0.51 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1n8j n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8j n GLY 18 N -2.00 1.72 3.33 7.41 0.00 -1.26 -5.01 105.19 109.38 1n8j n GLY 18 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1n8j n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8j s GLU 19 N -0.05 1.30 -0.13 1.61 -1.05 -0.10 -5.13 118.70 115.13 1n8j s GLU 19 Ca 0.00 -1.61 -0.12 0.00 -0.15 0.00 0.00 54.97 53.09 1n8j s GLU 19 Cb 0.00 -0.86 -0.05 0.00 -0.44 0.00 0.00 34.13 32.79 1n8j s GLU 19 CO 0.00 0.05 0.26 -0.06 0.95 0.00 0.00 175.26 176.46 1n8j s PHE 20 N -3.20 3.52 0.19 4.83 0.08 -1.26 -1.12 117.98 121.03 1n8j s PHE 20 Ca 0.24 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.90 1n8j s PHE 20 Cb 0.03 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 1n8j s PHE 20 CO 0.06 0.41 0.07 0.96 -0.10 0.00 0.00 175.22 176.63 1n8j s ILE 21 N -0.09 0.34 -0.10 0.64 -4.36 -0.12 -4.97 121.20 112.53 1n8j s ILE 21 Ca 0.16 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1n8j s ILE 21 Cb -0.13 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1n8j s ILE 21 CO 0.05 -0.23 -0.04 -0.70 0.24 0.00 0.00 174.94 174.26 1n8j s GLU 22 N -4.04 3.11 -0.09 0.37 2.12 -1.26 -0.04 118.70 118.88 1n8j s GLU 22 Ca 0.31 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.19 1n8j s GLU 22 Cb 0.07 -2.75 -0.00 0.00 0.26 0.00 0.00 34.13 31.71 1n8j s GLU 22 CO 0.08 0.54 -0.23 0.08 -0.54 0.00 0.00 175.26 175.19 1n8j s VAL 23 N -0.45 1.93 0.40 3.70 1.01 0.22 -4.96 120.40 122.23 1n8j s VAL 23 Ca 0.07 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1n8j s VAL 23 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1n8j s VAL 23 CO 0.02 0.53 0.14 0.35 0.00 0.00 0.00 175.10 176.15 1n8j n THR 24 N 3.43 0.00 0.29 3.92 -2.24 -1.26 -1.26 114.28 117.16 1n8j n THR 24 Ca -0.19 -2.32 0.16 0.00 -2.27 0.00 0.00 64.05 59.43 1n8j n THR 24 Cb 0.53 0.84 0.59 0.00 -2.10 0.00 0.00 70.33 70.19 1n8j n THR 24 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1n8j h GLU 25 N 0.00 0.00 -0.95 -0.78 9.09 -1.89 -2.65 114.58 117.41 1n8j h GLU 25 Ca -0.31 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.15 1n8j h GLU 25 Cb 1.18 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.22 1n8j h GLU 25 CO 0.49 0.00 0.62 0.87 0.05 0.00 0.00 179.01 181.03 1n8j h LYS 26 N 0.00 1.11 -0.63 1.06 6.56 -1.96 -0.83 116.57 121.88 1n8j h LYS 26 Ca 0.00 -0.07 0.05 0.00 -1.06 0.00 0.00 60.65 59.57 1n8j h LYS 26 Cb 0.56 -0.25 -0.04 0.00 -0.57 0.00 0.00 32.23 31.93 1n8j h LYS 26 CO 0.00 0.74 0.42 -0.44 -2.06 0.00 0.00 179.45 178.10 1n8j h ASP 27 N 1.14 0.59 1.39 0.86 3.32 -1.88 -2.65 116.42 119.19 1n8j h ASP 27 Ca 0.39 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1n8j h ASP 27 Cb 0.09 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1n8j h ASP 27 CO -0.13 0.39 -0.38 0.71 -1.72 0.00 0.00 179.24 178.11 1n8j h THR 28 N 0.67 0.00 -2.81 0.35 1.35 -1.29 -3.45 112.91 107.74 1n8j h THR 28 Ca 0.27 -0.77 -0.53 0.00 -0.55 0.00 0.00 66.41 64.82 1n8j h THR 28 Cb 0.20 1.56 0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1n8j h THR 28 CO -0.08 0.00 0.89 -1.61 -0.25 0.00 0.00 175.52 174.47 1n8j s GLU 29 N -3.21 4.23 0.00 4.72 2.02 -0.92 -1.94 118.70 123.60 1n8j s GLU 29 Ca 0.06 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.33 1n8j s GLU 29 Cb 0.10 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1n8j s GLU 29 CO 0.69 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1n8j n GLY 30 N 3.79 1.26 3.43 -1.39 0.00 -0.01 -5.03 105.19 107.23 1n8j n GLY 30 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1n8j n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j s ARG 31 N -0.25 1.54 0.16 1.61 0.52 -0.82 -4.77 118.95 116.94 1n8j s ARG 31 Ca 0.00 -1.56 -0.25 0.00 -0.52 0.00 0.00 55.73 53.39 1n8j s ARG 31 Cb 0.00 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.57 1n8j s ARG 31 CO 0.00 0.39 0.78 -1.58 0.02 0.00 0.00 175.30 174.90 1n8j s TRP 32 N -1.81 3.90 0.04 -0.53 0.52 -1.19 -2.82 118.94 117.05 1n8j s TRP 32 Ca 0.22 1.63 0.02 0.00 0.02 0.00 0.00 56.10 58.00 1n8j s TRP 32 Cb -0.07 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.45 1n8j s TRP 32 CO 0.11 0.51 -0.08 -1.12 0.02 0.00 0.00 176.95 176.38 1n8j s SER 33 N -1.10 0.92 -0.14 2.95 0.01 0.54 -1.45 113.70 115.43 1n8j s SER 33 Ca 0.36 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.08 1n8j s SER 33 Cb -0.23 0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.05 1n8j s SER 33 CO 0.26 -0.18 -0.09 -0.69 0.41 0.00 0.00 173.24 172.95 1n8j s VAL 34 N -1.31 1.22 -0.33 3.43 1.01 -0.39 -0.32 120.40 123.70 1n8j s VAL 34 Ca -0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1n8j s VAL 34 Cb -0.10 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1n8j s VAL 34 CO 0.01 0.34 0.22 -0.36 0.00 0.00 0.00 175.10 175.31 1n8j s PHE 35 N 1.62 3.22 -0.54 5.22 0.40 -0.40 -0.76 117.98 126.74 1n8j s PHE 35 Ca 0.04 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1n8j s PHE 35 Cb -0.13 -2.45 0.14 0.00 0.51 0.00 0.00 43.02 41.09 1n8j s PHE 35 CO -0.09 -0.36 0.39 0.12 0.70 0.00 0.00 175.22 175.99 1n8j s PHE 36 N 1.71 3.49 0.23 0.36 5.36 0.14 -1.61 117.98 127.66 1n8j s PHE 36 Ca 0.06 -2.17 -0.19 0.00 -0.96 0.00 0.00 56.93 53.66 1n8j s PHE 36 Cb -0.17 -3.42 -0.08 0.00 -0.34 0.00 0.00 43.02 39.00 1n8j s PHE 36 CO 0.10 -0.96 0.73 -0.06 -1.46 0.00 0.00 175.22 173.57 1n8j s PHE 37 N 0.86 3.63 0.03 10.12 0.40 0.01 -0.11 117.98 132.93 1n8j s PHE 37 Ca 0.10 1.38 -0.07 0.00 -0.60 0.00 0.00 56.93 57.73 1n8j s PHE 37 Cb -0.23 -2.61 -0.00 0.00 0.51 0.00 0.00 43.02 40.69 1n8j s PHE 37 CO -0.03 0.32 0.14 1.52 0.70 0.00 0.00 175.22 177.87 1n8j s TYR 38 N -1.55 0.11 0.11 0.36 -0.85 -0.07 -3.11 117.35 112.35 1n8j s TYR 38 Ca 0.44 -0.34 -0.27 0.00 -0.52 0.00 0.00 57.07 56.37 1n8j s TYR 38 Cb -0.16 -0.08 -0.10 0.00 0.38 0.00 0.00 41.96 42.00 1n8j s TYR 38 CO 0.21 -0.37 1.64 -1.35 -1.52 0.00 0.00 175.55 174.15 1n8j h PRO 39 N 3.71 -0.48 -1.87 -3.49 0.11 -1.76 -3.39 132.00 124.83 1n8j h PRO 39 Ca -0.32 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.88 1n8j h PRO 39 Cb 1.19 0.11 -0.20 0.00 0.11 0.00 0.00 31.00 32.21 1n8j h PRO 39 CO 0.48 -0.32 0.45 0.00 -0.21 0.00 0.00 178.00 178.40 1n8j s ALA 40 N -6.06 -1.86 0.78 -0.75 0.00 -1.26 -4.16 121.76 108.44 1n8j s ALA 40 Ca -0.16 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 1n8j s ALA 40 Cb 0.07 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1n8j s ALA 40 CO 0.65 -0.43 1.09 -0.51 0.00 0.00 0.00 175.76 176.56 1n8j s ASP 41 N -1.50 4.44 -2.11 0.00 1.11 -1.26 -3.68 116.67 113.66 1n8j s ASP 41 Ca -0.02 1.80 0.00 0.00 0.18 0.00 0.00 52.55 54.51 1n8j s ASP 41 Cb -0.01 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1n8j s ASP 41 CO 0.00 -2.07 0.00 0.49 1.18 0.00 0.00 175.17 174.77 1n8j n PHE 42 N -3.55 -0.11 -0.72 4.23 3.01 -1.26 -4.98 117.46 114.08 1n8j n PHE 42 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1n8j n PHE 42 Cb 0.53 -3.46 0.00 0.00 -0.01 0.00 0.00 39.48 36.54 1n8j n PHE 42 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n8j n THR 43 N -2.59 0.00 -0.01 4.37 -2.24 -1.24 -5.12 114.28 107.45 1n8j n THR 43 Ca -0.21 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.55 1n8j n THR 43 Cb 0.67 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.14 4.78 3.72 -1.26 -4.66 117.46 119.90 1n8j n PHE 44 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1n8j n PHE 44 Cb 0.00 -0.10 0.07 0.00 -0.94 0.00 0.00 39.48 38.51 1n8j n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1n8j h VAL 45 N -0.20 1.26 -0.47 -4.37 2.07 -1.98 -3.30 116.25 109.27 1n8j h VAL 45 Ca 0.00 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1n8j h VAL 45 Cb 0.20 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 1n8j h VAL 45 CO 0.00 0.42 -0.13 0.28 0.02 0.00 0.00 177.57 178.17 1n8j h SER 46 N 0.82 -0.46 -0.63 0.57 0.02 -1.90 -2.23 113.55 109.73 1n8j h SER 46 Ca 0.13 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1n8j h SER 46 Cb 0.63 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1n8j h SER 46 CO 0.04 -0.16 0.29 -0.65 -1.14 0.00 0.00 176.83 175.21 1n8j h PRO 47 N -0.01 0.51 -0.83 3.45 0.11 -1.83 0.12 132.00 133.52 1n8j h PRO 47 Ca 0.23 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1n8j h PRO 47 Cb 0.36 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.31 1n8j h PRO 47 CO -0.49 0.34 0.48 1.79 -0.21 0.00 0.00 178.00 179.90 1n8j h THR 48 N 0.52 1.23 -0.17 -1.15 1.35 -1.56 0.42 112.91 113.56 1n8j h THR 48 Ca 0.31 -0.54 -0.06 0.00 -0.55 0.00 0.00 66.41 65.56 1n8j h THR 48 Cb 0.31 0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1n8j h THR 48 CO -0.25 0.25 -0.13 -0.33 -0.25 0.00 0.00 175.52 174.81 1n8j h GLU 49 N 1.15 0.39 -0.47 4.72 5.08 -0.76 0.21 114.58 124.90 1n8j h GLU 49 Ca 0.30 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1n8j h GLU 49 Cb -0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1n8j h GLU 49 CO -0.05 0.73 0.09 -0.07 -1.00 0.00 0.00 179.01 178.71 1n8j h LEU 50 N 0.05 0.67 -0.42 1.33 3.38 -0.51 -0.89 115.31 118.92 1n8j h LEU 50 Ca 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1n8j h LEU 50 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n8j h LEU 50 CO 0.03 0.68 -0.35 1.23 0.09 0.00 0.00 178.44 180.12 1n8j h GLY 51 N 0.91 1.03 0.98 0.83 0.00 -0.01 -1.40 103.07 105.41 1n8j h GLY 51 Ca 0.15 -1.02 0.01 0.00 0.00 0.00 0.00 47.33 46.47 1n8j h GLY 51 CO 0.00 0.93 0.35 -1.80 0.00 0.00 0.00 176.54 176.01 1n8j h ASP 52 N 0.78 0.59 -0.55 0.19 -0.00 0.02 -0.89 116.42 116.57 1n8j h ASP 52 Ca 0.07 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 57.02 1n8j h ASP 52 Cb 0.94 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 40.10 1n8j h ASP 52 CO 0.09 0.43 0.09 0.58 -0.00 0.00 0.00 179.24 180.43 1n8j h VAL 53 N 0.70 1.25 -0.80 2.25 2.07 -1.05 -2.44 116.25 118.23 1n8j h VAL 53 Ca 0.20 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1n8j h VAL 53 Cb -0.06 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1n8j h VAL 53 CO -0.05 0.36 0.44 0.00 0.02 0.00 0.00 177.57 178.34 1n8j h ALA 54 N 1.19 1.27 0.00 1.67 0.00 -0.49 -0.73 119.26 122.17 1n8j h ALA 54 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n8j h ALA 54 Cb 0.40 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n8j h ALA 54 CO 0.01 0.60 -0.02 -0.44 0.00 0.00 0.00 179.25 179.40 1n8j h ASP 55 N 1.12 0.00 -0.02 0.00 3.32 -0.69 -2.18 116.42 117.97 1n8j h ASP 55 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1n8j h ASP 55 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1n8j h ASP 55 CO -0.05 0.02 -0.03 1.41 -1.72 0.00 0.00 179.24 178.87 1n8j n HIS 56 N -3.23 0.00 -0.12 4.55 8.25 -0.41 -4.63 115.22 119.63 1n8j n HIS 56 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1n8j n HIS 56 Cb 0.16 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.64 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 3.31 0.68 -0.46 4.41 3.20 -0.52 -1.03 116.97 126.56 1n8j h TYR 57 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1n8j h TYR 57 Cb 0.72 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1n8j h TYR 57 CO 0.00 0.39 0.16 0.93 -1.64 0.00 0.00 178.16 178.00 1n8j h GLU 58 N 0.70 0.71 -0.17 1.82 4.39 -1.82 0.03 114.58 120.24 1n8j h GLU 58 Ca 0.25 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1n8j h GLU 58 Cb 0.12 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1n8j h GLU 58 CO -0.07 0.66 0.05 1.49 -1.16 0.00 0.00 179.01 179.98 1n8j h GLU 59 N 0.61 0.27 -0.13 2.33 4.81 -1.75 -1.98 114.58 118.73 1n8j h GLU 59 Ca 0.15 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1n8j h GLU 59 Cb 0.24 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1n8j h GLU 59 CO -0.01 0.39 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.49 1n8j h LEU 60 N 0.09 -0.34 -1.22 1.64 3.38 -0.99 -1.61 115.31 116.26 1n8j h LEU 60 Ca 0.05 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1n8j h LEU 60 Cb 0.24 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1n8j h LEU 60 CO -0.00 -0.14 0.54 1.56 0.09 0.00 0.00 178.44 180.49 1n8j h GLN 61 N -0.12 0.97 0.00 1.13 1.08 -0.94 0.64 115.11 117.87 1n8j h GLN 61 Ca 0.09 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1n8j h GLN 61 Cb 0.25 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1n8j h GLN 61 CO -0.21 0.64 -0.20 -0.22 -0.95 0.00 0.00 178.83 177.90 1n8j h LYS 62 N 1.00 0.00 -0.23 1.46 3.64 -0.67 -1.13 116.57 120.64 1n8j h LYS 62 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1n8j h LYS 62 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1n8j h LYS 62 CO -0.10 0.20 0.00 1.28 -2.27 0.00 0.00 179.45 178.56 1n8j n LEU 63 N -3.99 1.86 -1.46 5.20 4.77 0.07 -4.91 117.00 118.54 1n8j n LEU 63 Ca -0.02 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.05 1n8j n LEU 63 Cb 0.28 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1n8j n LEU 63 CO 0.34 0.41 0.05 0.61 -1.33 0.00 0.00 177.39 177.47 1n8j n GLY 64 N 1.14 0.32 3.24 -0.72 0.00 -0.43 -4.97 105.19 103.77 1n8j n GLY 64 Ca 0.15 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1n8j n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8j s VAL 65 N -2.95 2.27 0.21 1.61 1.01 -0.33 -3.14 120.40 119.08 1n8j s VAL 65 Ca 0.17 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1n8j s VAL 65 Cb -0.07 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1n8j s VAL 65 CO 0.21 0.55 0.36 -1.81 0.00 0.00 0.00 175.10 174.41 1n8j s ASP 66 N 0.51 6.34 -0.06 3.32 1.01 -0.53 -3.62 116.67 123.64 1n8j s ASP 66 Ca -0.14 0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.39 1n8j s ASP 66 Cb -0.17 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.83 1n8j s ASP 66 CO 0.05 -0.05 -0.21 -0.69 0.21 0.00 0.00 175.17 174.48 1n8j s VAL 67 N -1.92 1.72 -0.18 -1.27 1.01 -1.26 -1.26 120.40 117.24 1n8j s VAL 67 Ca 0.36 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1n8j s VAL 67 Cb -0.10 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1n8j s VAL 67 CO 0.30 0.49 -0.04 -0.31 0.00 0.00 0.00 175.10 175.53 1n8j s TYR 68 N 0.04 1.71 0.14 5.22 1.51 0.06 -3.50 117.35 122.53 1n8j s TYR 68 Ca -0.06 -1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 54.70 1n8j s TYR 68 Cb -0.13 -1.31 -0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1n8j s TYR 68 CO 0.04 -0.63 0.56 -1.54 -1.11 0.00 0.00 175.55 172.86 1n8j s SER 69 N 1.63 6.86 -0.01 2.29 1.04 -0.78 0.27 113.70 125.01 1n8j s SER 69 Ca -0.00 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.56 1n8j s SER 69 Cb -0.16 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1n8j s SER 69 CO -0.07 0.12 -0.04 -0.69 0.98 0.00 0.00 173.24 173.54 1n8j s VAL 70 N -1.43 0.36 0.09 5.02 1.01 0.84 -0.49 120.40 125.80 1n8j s VAL 70 Ca 0.37 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1n8j s VAL 70 Cb -0.16 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1n8j s VAL 70 CO 0.19 0.13 0.26 -0.94 0.00 0.00 0.00 175.10 174.74 1n8j s SER 71 N 0.23 -0.00 0.00 3.32 1.04 -1.21 -0.89 113.70 116.20 1n8j s SER 71 Ca -0.02 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1n8j s SER 71 Cb -0.06 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1n8j s SER 71 CO -0.00 -0.74 0.87 0.35 0.98 0.00 0.00 173.24 174.69 1n8j n THR 72 N -0.00 0.00 -1.93 2.02 -2.24 -1.26 -1.47 114.28 109.40 1n8j n THR 72 Ca -0.16 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.33 1n8j n THR 72 Cb 0.62 -0.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -1.11 4.58 0.77 3.42 1.01 -1.26 -3.63 116.67 120.45 1n8j s ASP 73 Ca 0.00 0.76 -0.08 0.00 0.71 0.00 0.00 52.55 53.94 1n8j s ASP 73 Cb 0.00 -1.29 0.10 0.00 1.01 0.00 0.00 42.92 42.74 1n8j s ASP 73 CO 0.00 -1.85 1.09 0.42 0.21 0.00 0.00 175.17 175.04 1n8j s THR 74 N -3.53 2.18 -0.04 -1.27 -4.23 -1.26 -2.42 115.64 105.06 1n8j s THR 74 Ca 0.62 -0.23 0.23 0.00 -1.18 0.00 0.00 61.69 61.13 1n8j s THR 74 Cb -0.11 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.03 1n8j s THR 74 CO 0.49 0.00 1.73 1.12 -0.54 0.00 0.00 174.62 177.42 1n8j h HIS 75 N -0.83 0.00 -0.30 3.99 2.07 -1.87 -2.83 115.15 115.37 1n8j h HIS 75 Ca -0.44 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.05 1n8j h HIS 75 Cb 1.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO -0.02 0.21 0.04 0.74 -3.07 0.00 0.00 177.93 175.83 1n8j h PHE 76 N 0.00 0.54 -0.73 6.12 -1.00 -1.97 -0.92 116.94 118.98 1n8j h PHE 76 Ca -0.00 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 1n8j h PHE 76 Cb 0.89 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 1n8j h PHE 76 CO 0.00 0.60 0.42 1.15 -1.61 0.00 0.00 178.31 178.87 1n8j h THR 77 N 0.31 1.22 -0.62 -1.55 2.02 -1.92 -0.88 112.91 111.50 1n8j h THR 77 Ca 0.09 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1n8j h THR 77 Cb 0.36 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1n8j h THR 77 CO 0.01 0.24 0.40 0.45 0.37 0.00 0.00 175.52 176.99 1n8j h HIS 78 N 1.01 0.76 0.02 3.16 3.86 -1.25 0.69 115.15 123.41 1n8j h HIS 78 Ca 0.26 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1n8j h HIS 78 Cb 0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 1n8j h HIS 78 CO -0.01 0.47 -0.05 -0.22 0.86 0.00 0.00 177.93 178.99 1n8j h LYS 79 N 0.82 -0.09 -0.47 2.45 3.64 -0.46 -0.60 116.57 121.86 1n8j h LYS 79 Ca 0.23 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1n8j h LYS 79 Cb -0.08 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1n8j h LYS 79 CO -0.06 -0.06 0.21 0.00 -2.27 0.00 0.00 179.45 177.27 1n8j h ALA 80 N 0.88 0.59 0.00 5.00 0.00 -0.72 -1.00 119.26 124.01 1n8j h ALA 80 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n8j h ALA 80 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n8j h ALA 80 CO -0.03 -0.16 -0.13 2.35 0.00 0.00 0.00 179.25 181.28 1n8j h TRP 81 N 0.41 0.00 0.00 0.00 7.01 -0.61 -1.80 115.95 120.96 1n8j h TRP 81 Ca 0.22 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.13 1n8j h TRP 81 Cb 0.17 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1n8j h TRP 81 CO -0.13 0.13 -0.40 1.25 -2.79 0.00 0.00 178.44 176.50 1n8j h HIS 82 N 0.00 0.00 0.17 2.65 2.76 0.25 -2.45 115.15 118.53 1n8j h HIS 82 Ca -0.00 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.85 1n8j h HIS 82 Cb 0.23 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.20 1n8j h HIS 82 CO 0.00 0.40 -1.60 0.77 -1.30 0.00 0.00 177.93 176.20 1n8j h SER 83 N 0.00 0.55 1.60 3.26 0.02 -0.99 -3.29 113.55 114.70 1n8j h SER 83 Ca -0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 1n8j h SER 83 Cb 0.79 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1n8j h SER 83 CO 0.05 1.72 -0.04 0.77 -1.14 0.00 0.00 176.83 178.19 1n8j h SER 84 N -0.04 0.00 -3.23 3.07 4.64 -1.40 -3.45 113.55 113.14 1n8j h SER 84 Ca -0.32 -0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.32 1n8j h SER 84 Cb 1.98 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.75 1n8j h SER 84 CO 0.14 0.00 -0.83 -0.55 -0.87 0.00 0.00 176.83 174.73 1n8j s SER 85 N -5.02 3.47 0.48 4.97 0.15 -0.93 -5.00 113.70 111.83 1n8j s SER 85 Ca 0.09 -0.53 0.14 0.00 0.70 0.00 0.00 55.95 56.36 1n8j s SER 85 Cb 0.10 -1.53 1.12 0.00 -1.71 0.00 0.00 66.02 64.00 1n8j s SER 85 CO 0.63 0.07 2.08 -0.33 1.20 0.00 0.00 173.24 176.88 1n8j h GLU 86 N 7.44 0.06 0.03 5.44 4.39 -1.89 0.87 114.58 130.92 1n8j h GLU 86 Ca -0.35 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1n8j h GLU 86 Cb 1.18 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1n8j h GLU 86 CO 0.58 0.11 -0.01 1.79 -1.16 0.00 0.00 179.01 180.32 1n8j h THR 87 N 0.06 1.42 -0.04 1.13 1.35 -1.95 -3.25 112.91 111.64 1n8j h THR 87 Ca 0.02 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.19 1n8j h THR 87 Cb 0.12 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 1n8j h THR 87 CO 0.01 0.41 -0.10 0.40 -0.25 0.00 0.00 175.52 175.99 1n8j h ILE 88 N -0.79 1.10 -0.03 6.82 1.08 -1.80 -2.22 117.51 121.67 1n8j h ILE 88 Ca -0.00 -0.43 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1n8j h ILE 88 Cb 0.70 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1n8j h ILE 88 CO 0.01 0.13 0.04 0.00 -0.69 0.00 0.00 178.15 177.63 1n8j h ALA 89 N 1.85 1.50 -0.00 1.87 0.00 -0.86 -1.11 119.26 122.51 1n8j h ALA 89 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 89 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n8j h ALA 89 CO 0.01 -0.05 -0.19 0.36 0.00 0.00 0.00 179.25 179.38 1n8j n LYS 90 N -3.72 0.14 -1.94 0.00 2.85 -0.83 -4.86 118.16 109.80 1n8j n LYS 90 Ca -0.02 -0.04 -0.42 0.00 -1.05 0.00 0.00 58.31 56.77 1n8j n LYS 90 Cb 0.12 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -2.89 3.20 -0.71 0.58 1.01 -0.42 -4.88 121.20 117.09 1n8j s ILE 91 Ca 0.16 0.53 0.12 0.00 0.00 0.00 0.00 60.65 61.45 1n8j s ILE 91 Cb 0.19 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.23 1n8j s ILE 91 CO 0.58 -0.02 0.55 0.29 0.00 0.00 0.00 174.94 176.34 1n8j n LYS 92 N 6.15 2.84 -2.49 2.79 5.02 -1.26 -4.73 118.16 126.48 1n8j n LYS 92 Ca 0.16 -0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 1n8j n LYS 92 Cb 0.41 -1.07 0.07 0.00 -0.02 0.00 0.00 35.03 34.42 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -1.92 2.54 0.20 2.13 -0.85 -1.26 -4.52 117.35 113.66 1n8j s TYR 93 Ca 0.06 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.36 1n8j s TYR 93 Cb 0.09 -2.97 -0.09 0.00 0.38 0.00 0.00 41.96 39.37 1n8j s TYR 93 CO 0.42 -1.27 1.28 0.00 -1.52 0.00 0.00 175.55 174.47 1n8j s ALA 94 N -3.01 3.50 -0.45 9.51 0.00 -1.23 -4.70 121.76 125.39 1n8j s ALA 94 Ca 0.61 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1n8j s ALA 94 Cb -0.09 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.68 1n8j s ALA 94 CO 0.42 -0.50 0.29 -1.64 0.00 0.00 0.00 175.76 174.32 1n8j s MET 95 N -0.18 2.31 0.11 0.00 1.00 0.06 -1.86 119.30 120.74 1n8j s MET 95 Ca 0.56 -1.77 -0.30 0.00 0.00 0.00 0.00 55.69 54.17 1n8j s MET 95 Cb -0.36 -3.79 -0.06 0.00 0.00 0.00 0.00 34.83 30.62 1n8j s MET 95 CO 0.38 -1.14 1.01 0.42 0.00 0.00 0.00 175.02 175.69 1n8j s ILE 96 N 1.28 4.35 -0.22 2.53 1.01 0.35 -1.12 121.20 129.38 1n8j s ILE 96 Ca 0.06 1.92 -0.10 0.00 0.00 0.00 0.00 60.65 62.54 1n8j s ILE 96 Cb -0.25 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1n8j s ILE 96 CO -0.02 0.28 0.15 -0.83 0.00 0.00 0.00 174.94 174.52 1n8j s GLY 97 N 0.13 2.00 -0.52 6.18 0.00 0.02 -3.32 107.32 111.81 1n8j s GLY 97 Ca 0.49 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.47 1n8j s GLY 97 CO 0.31 0.29 0.85 1.34 0.00 0.00 0.00 173.10 175.89 1n8j n ASP 98 N 3.98 3.22 0.24 1.64 2.03 -0.54 -4.07 116.55 123.04 1n8j n ASP 98 Ca -0.15 -3.44 0.10 0.00 0.52 0.00 0.00 54.79 51.82 1n8j n ASP 98 Cb 0.52 -0.59 0.68 0.00 -0.72 0.00 0.00 41.12 41.01 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 3.13 0.00 0.00 -0.67 0.13 -1.69 -1.98 132.00 130.91 1n8j h PRO 99 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1n8j h PRO 99 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1n8j h PRO 99 CO 0.72 0.00 -0.14 0.25 -0.23 0.00 0.00 178.00 178.60 1n8j n THR 100 N -4.44 0.20 -0.20 1.56 -2.24 -1.26 -4.93 114.28 102.97 1n8j n THR 100 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1n8j n THR 100 Cb 0.14 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.43 2.46 0.16 3.38 0.00 -0.75 -4.93 105.19 106.95 1n8j n GLY 101 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1n8j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8j h ALA 102 N 0.00 0.14 -0.31 4.61 0.00 -1.92 0.13 119.26 121.92 1n8j h ALA 102 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n8j h ALA 102 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1n8j h ALA 102 CO 0.00 -0.50 0.14 1.25 0.00 0.00 0.00 179.25 180.15 1n8j h LEU 103 N -0.04 0.21 -0.56 0.00 6.46 -1.91 0.23 115.31 119.69 1n8j h LEU 103 Ca 0.14 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1n8j h LEU 103 Cb 0.26 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1n8j h LEU 103 CO -0.31 0.16 0.35 0.74 -0.62 0.00 0.00 178.44 178.76 1n8j h THR 104 N 0.31 1.10 0.00 1.05 2.02 -1.79 -2.07 112.91 113.52 1n8j h THR 104 Ca 0.13 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1n8j h THR 104 Cb 0.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1n8j h THR 104 CO -0.10 0.13 -0.37 0.03 0.37 0.00 0.00 175.52 175.58 1n8j h ARG 105 N 0.71 0.00 -0.17 6.66 3.08 -0.18 -1.27 114.38 123.21 1n8j h ARG 105 Ca 0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1n8j h ARG 105 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1n8j h ARG 105 CO -0.08 0.37 0.01 -0.91 -1.07 0.00 0.00 179.97 178.29 1n8j h ASN 106 N 0.00 0.21 -0.57 7.04 2.35 0.16 -0.78 115.58 123.99 1n8j h ASN 106 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n8j h ASN 106 Cb 0.81 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1n8j h ASN 106 CO 0.05 0.25 0.00 0.49 -1.65 0.00 0.00 177.43 176.57 1n8j n PHE 107 N -4.41 0.86 -3.99 1.19 3.72 -0.81 -4.87 117.46 109.15 1n8j n PHE 107 Ca -0.00 -0.41 -0.29 0.00 -0.05 0.00 0.00 57.45 56.70 1n8j n PHE 107 Cb 0.16 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 1n8j n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8j n ASP 108 N 1.13 -1.91 -0.06 4.37 2.03 -0.30 -4.87 116.55 116.94 1n8j n ASP 108 Ca 0.20 -0.95 0.04 0.00 0.52 0.00 0.00 54.79 54.60 1n8j n ASP 108 Cb 0.54 -3.21 0.06 0.00 -0.72 0.00 0.00 41.12 37.79 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.88 1.93 -4.77 1.67 4.05 -0.54 -5.01 115.26 109.70 1n8j n ASN 109 Ca -0.15 -2.43 -0.39 0.00 0.45 0.00 0.00 54.58 52.06 1n8j n ASN 109 Cb 0.61 -0.20 -0.06 0.00 1.23 0.00 0.00 39.78 41.36 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -1.72 4.47 -1.04 1.20 1.75 -1.26 -0.58 119.30 122.12 1n8j s MET 110 Ca 0.14 1.03 -0.13 0.00 -1.25 0.00 0.00 55.69 55.49 1n8j s MET 110 Cb 0.12 -3.31 0.21 0.00 2.84 0.00 0.00 34.83 34.70 1n8j s MET 110 CO 0.01 0.44 1.12 1.03 -0.65 0.00 0.00 175.02 176.97 1n8j s ARG 111 N -0.60 3.95 0.37 4.11 0.52 0.53 -4.87 118.95 122.95 1n8j s ARG 111 Ca 0.36 -2.66 0.19 0.00 -0.52 0.00 0.00 55.73 53.10 1n8j s ARG 111 Cb -0.21 -4.71 1.19 0.00 0.52 0.00 0.00 34.95 31.74 1n8j s ARG 111 CO 0.23 -1.47 1.66 0.93 0.02 0.00 0.00 175.30 176.67 1n8j h GLU 112 N 7.38 0.24 0.00 3.54 4.39 -1.94 0.20 114.58 128.39 1n8j h GLU 112 Ca 0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1n8j h GLU 112 Cb 0.94 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1n8j h GLU 112 CO 1.03 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.63 1n8j n ASP 113 N -4.96 0.00 -0.00 1.42 5.75 -1.26 -3.70 116.55 113.81 1n8j n ASP 113 Ca 0.33 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 1n8j n ASP 113 Cb 1.10 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.76 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.43 0.39 -1.06 0.11 1.02 0.52 -5.00 120.64 115.19 1n8j n GLU 114 Ca 0.08 -0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1n8j n GLU 114 Cb 0.25 -0.98 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 2.40 0.55 3.43 0.62 0.00 -0.16 -5.02 105.19 107.01 1n8j n GLY 115 Ca -0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -0.45 2.46 0.43 0.99 1.43 -1.24 -4.78 118.68 117.53 1n8j s LEU 116 Ca 0.00 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 1n8j s LEU 116 Cb 0.00 -1.35 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 1n8j s LEU 116 CO 0.00 0.18 0.97 0.00 0.23 0.00 0.00 176.35 177.74 1n8j s ALA 117 N -1.08 3.02 0.76 4.21 0.00 -1.26 -0.34 121.76 127.07 1n8j s ALA 117 Ca 0.15 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1n8j s ALA 117 Cb -0.10 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.89 1n8j s ALA 117 CO 0.07 0.02 1.11 -0.51 0.00 0.00 0.00 175.76 176.46 1n8j s ASP 118 N -2.07 4.86 -0.96 0.00 1.11 0.25 -2.80 116.67 117.07 1n8j s ASP 118 Ca 0.62 1.15 -0.24 0.00 0.18 0.00 0.00 52.55 54.26 1n8j s ASP 118 Cb -0.12 -1.87 0.02 0.00 1.07 0.00 0.00 42.92 42.02 1n8j s ASP 118 CO 0.16 -1.72 1.56 -0.13 1.18 0.00 0.00 175.17 176.23 1n8j s ARG 119 N -5.30 3.30 0.06 8.23 0.52 -1.25 -4.05 118.95 120.45 1n8j s ARG 119 Ca 0.60 -0.82 0.06 0.00 -0.52 0.00 0.00 55.73 55.05 1n8j s ARG 119 Cb -0.13 -5.18 -0.03 0.00 0.52 0.00 0.00 34.95 30.14 1n8j s ARG 119 CO 0.52 -2.49 -0.16 0.00 0.02 0.00 0.00 175.30 173.20 1n8j s ALA 120 N 6.32 1.31 -0.05 2.13 0.00 -1.18 -1.46 121.76 128.83 1n8j s ALA 120 Ca 0.51 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1n8j s ALA 120 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1n8j s ALA 120 CO -0.05 0.23 -0.15 0.99 0.00 0.00 0.00 175.76 176.77 1n8j s THR 121 N -1.08 1.32 -0.09 0.00 2.01 0.82 -0.81 115.64 117.81 1n8j s THR 121 Ca 0.01 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1n8j s THR 121 Cb -0.09 -1.15 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1n8j s THR 121 CO 0.02 0.39 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.89 1n8j s PHE 122 N 0.21 1.38 -0.29 4.92 0.40 -0.63 -1.17 117.98 122.80 1n8j s PHE 122 Ca -0.07 -0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 55.55 1n8j s PHE 122 Cb -0.12 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 1n8j s PHE 122 CO 0.03 -0.39 0.24 0.08 0.70 0.00 0.00 175.22 175.88 1n8j s VAL 123 N 1.23 5.28 -0.17 -0.44 1.01 0.04 -1.27 120.40 126.06 1n8j s VAL 123 Ca -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1n8j s VAL 123 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1n8j s VAL 123 CO -0.03 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.40 1n8j s VAL 124 N 1.82 2.62 0.99 2.92 1.01 0.56 0.39 120.40 130.71 1n8j s VAL 124 Ca 0.08 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1n8j s VAL 124 Cb -0.16 -2.12 0.19 0.00 0.00 0.00 0.00 36.38 34.29 1n8j s VAL 124 CO 0.11 0.51 1.20 1.51 0.00 0.00 0.00 175.10 178.42 1n8j s ASP 125 N 1.06 2.83 0.63 3.32 1.47 -0.09 -0.34 116.67 125.55 1n8j s ASP 125 Ca -0.01 0.63 0.32 0.00 1.18 0.00 0.00 52.55 54.67 1n8j s ASP 125 Cb -0.15 -0.93 1.78 0.00 -0.34 0.00 0.00 42.92 43.29 1n8j s ASP 125 CO -0.04 -2.94 2.06 -0.65 0.68 0.00 0.00 175.17 174.28 1n8j h PRO 126 N -1.78 0.00 -0.41 2.11 0.11 -1.82 0.11 132.00 130.33 1n8j h PRO 126 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n8j h PRO 126 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n8j h PRO 126 CO 0.47 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.30 1n8j n GLN 127 N -3.31 2.05 -1.00 1.05 3.00 -1.26 -0.83 117.38 117.08 1n8j n GLN 127 Ca 0.00 -1.62 -0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1n8j n GLN 127 Cb 0.33 -1.38 -0.00 0.00 0.00 0.00 0.00 30.24 29.19 1n8j n GLN 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n8j n GLY 128 N 1.24 0.46 3.73 1.08 0.00 0.39 -4.91 105.19 107.18 1n8j n GLY 128 Ca 0.16 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -2.00 5.12 -0.23 -0.61 -1.09 -1.25 -1.14 121.20 120.01 1n8j s ILE 129 Ca 0.00 1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 59.19 1n8j s ILE 129 Cb 0.00 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1n8j s ILE 129 CO 0.00 0.34 1.32 -0.63 -1.23 0.00 0.00 174.94 174.75 1n8j s ILE 130 N 0.45 4.14 -0.21 2.92 1.01 -0.59 -0.91 121.20 128.02 1n8j s ILE 130 Ca 0.28 1.33 0.17 0.00 0.00 0.00 0.00 60.65 62.44 1n8j s ILE 130 Cb -0.16 -4.03 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 1n8j s ILE 130 CO 0.12 -0.30 0.46 0.00 0.00 0.00 0.00 174.94 175.22 1n8j n GLN 131 N 7.04 0.74 -3.71 2.79 1.13 0.16 -0.84 117.38 124.69 1n8j n GLN 131 Ca 0.15 -0.12 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 1n8j n GLN 131 Cb 0.46 -1.39 -0.09 0.00 0.11 0.00 0.00 30.24 29.33 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -3.07 -1.15 -0.00 -1.58 0.00 -1.18 -4.93 121.76 109.85 1n8j s ALA 132 Ca -0.03 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.17 1n8j s ALA 132 Cb 0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1n8j s ALA 132 CO 0.72 -0.23 -0.08 0.42 0.00 0.00 0.00 175.76 176.59 1n8j s ILE 133 N 0.02 0.60 -0.02 0.00 1.01 -1.26 -0.78 121.20 120.77 1n8j s ILE 133 Ca -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1n8j s ILE 133 Cb -0.03 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.95 1n8j s ILE 133 CO 0.01 0.14 0.03 -0.70 0.00 0.00 0.00 174.94 174.43 1n8j s GLU 134 N -0.25 -0.01 -0.02 2.79 2.12 -0.31 -4.97 118.70 118.04 1n8j s GLU 134 Ca 0.02 0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1n8j s GLU 134 Cb -0.03 -0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.23 1n8j s GLU 134 CO -0.00 -0.11 0.03 0.08 -0.54 0.00 0.00 175.26 174.72 1n8j s VAL 135 N 0.71 -0.06 0.13 3.70 1.01 -1.26 -0.13 120.40 124.51 1n8j s VAL 135 Ca -0.06 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1n8j s VAL 135 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1n8j s VAL 135 CO -0.02 0.10 -0.11 0.42 0.00 0.00 0.00 175.10 175.49 1n8j s THR 136 N 1.15 1.16 0.99 3.92 -4.23 -0.53 -5.02 115.64 113.08 1n8j s THR 136 Ca -0.08 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1n8j s THR 136 Cb -0.13 -1.67 0.19 0.00 1.34 0.00 0.00 72.50 72.23 1n8j s THR 136 CO -0.03 -0.63 1.11 0.00 -0.54 0.00 0.00 174.62 174.53 1n8j s ALA 137 N -2.86 0.89 0.39 3.99 0.00 -1.26 -3.96 121.76 118.95 1n8j s ALA 137 Ca 0.12 0.34 0.19 0.00 0.00 0.00 0.00 51.96 52.62 1n8j s ALA 137 Cb -0.00 -3.37 1.13 0.00 0.00 0.00 0.00 23.12 20.87 1n8j s ALA 137 CO 0.01 -3.06 1.72 1.49 0.00 0.00 0.00 175.76 175.93 1n8j h GLU 138 N -2.08 0.34 -0.72 0.00 4.57 -2.01 -2.03 114.58 112.66 1n8j h GLU 138 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1n8j h GLU 138 Cb 1.29 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1n8j h GLU 138 CO 0.45 0.23 0.00 0.41 -1.18 0.00 0.00 179.01 178.92 1n8j n GLY 139 N -1.44 2.55 3.16 1.92 0.00 -1.26 -4.83 105.19 105.29 1n8j n GLY 139 Ca 0.29 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1n8j n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 140 N -1.27 3.13 0.57 -0.61 1.01 -0.76 -5.09 121.20 118.17 1n8j s ILE 140 Ca 0.50 -1.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.33 1n8j s ILE 140 Cb 0.28 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1n8j s ILE 140 CO 0.31 -0.34 1.10 -0.83 0.00 0.00 0.00 174.94 175.18 1n8j s GLY 141 N 1.45 2.39 0.56 6.18 0.00 -1.26 -4.62 107.32 112.02 1n8j s GLY 141 Ca 0.01 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1n8j s GLY 141 CO -0.02 0.98 0.81 0.50 0.00 0.00 0.00 173.10 175.37 1n8j s ARG 142 N -3.63 2.65 -0.23 2.90 0.52 -1.26 -5.10 118.95 114.80 1n8j s ARG 142 Ca 0.69 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 1n8j s ARG 142 Cb -0.20 -2.41 0.05 0.00 0.52 0.00 0.00 34.95 32.90 1n8j s ARG 142 CO 0.31 -0.71 -0.12 0.34 0.02 0.00 0.00 175.30 175.14 1n8j s ASP 143 N -4.38 3.92 0.52 0.23 -1.08 -1.26 -4.86 116.67 109.75 1n8j s ASP 143 Ca 0.55 -1.13 0.19 0.00 -0.52 0.00 0.00 52.55 51.65 1n8j s ASP 143 Cb -0.10 -1.43 1.30 0.00 -1.46 0.00 0.00 42.92 41.22 1n8j s ASP 143 CO 0.40 -0.15 2.08 0.00 0.52 0.00 0.00 175.17 178.03 1n8j h ALA 144 N 7.86 2.18 -0.31 3.66 0.00 -1.92 -2.10 119.26 128.64 1n8j h ALA 144 Ca -0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1n8j h ALA 144 Cb 1.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1n8j h ALA 144 CO 0.49 -0.25 0.01 0.66 0.00 0.00 0.00 179.25 180.16 1n8j h SER 145 N 0.03 0.43 0.08 0.00 4.64 -1.95 -0.62 113.55 116.17 1n8j h SER 145 Ca 0.11 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1n8j h SER 145 Cb 0.40 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1n8j h SER 145 CO -0.00 0.50 -0.85 -0.78 -0.87 0.00 0.00 176.83 174.82 1n8j h ASP 146 N 0.45 0.74 -0.81 4.97 3.58 -1.82 -2.34 116.42 121.18 1n8j h ASP 146 Ca 0.10 -0.52 0.08 0.00 0.42 0.00 0.00 57.03 57.11 1n8j h ASP 146 Cb 0.29 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 1n8j h ASP 146 CO 0.01 1.31 0.47 0.25 -2.88 0.00 0.00 179.24 178.40 1n8j h LEU 147 N 0.38 0.70 -1.35 2.28 5.85 -1.29 -1.38 115.31 120.51 1n8j h LEU 147 Ca -0.07 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1n8j h LEU 147 Cb 1.47 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1n8j h LEU 147 CO 0.16 0.42 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.35 1n8j h LEU 148 N 0.82 0.10 -0.60 2.25 3.38 -0.85 -1.40 115.31 119.00 1n8j h LEU 148 Ca 0.38 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 1n8j h LEU 148 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1n8j h LEU 148 CO -0.22 0.37 -0.41 -0.09 0.09 0.00 0.00 178.44 178.17 1n8j h ARG 149 N 0.09 0.64 -0.18 1.13 2.43 -0.74 -2.30 114.38 115.46 1n8j h ARG 149 Ca 0.01 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 1n8j h ARG 149 Cb 0.52 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1n8j h ARG 149 CO 0.04 0.93 -0.30 0.87 -1.51 0.00 0.00 179.97 180.00 1n8j h LYS 150 N 0.52 0.52 -0.29 0.20 1.57 -0.95 -1.17 116.57 116.96 1n8j h LYS 150 Ca 0.04 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1n8j h LYS 150 Cb 0.94 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1n8j h LYS 150 CO 0.08 0.92 0.08 0.82 -0.57 0.00 0.00 179.45 180.79 1n8j h ILE 151 N 0.16 0.89 -0.76 1.86 2.04 -1.28 0.23 117.51 120.66 1n8j h ILE 151 Ca 0.01 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1n8j h ILE 151 Cb 0.89 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1n8j h ILE 151 CO 0.07 0.04 0.47 0.11 0.00 0.00 0.00 178.15 178.83 1n8j h LYS 152 N 0.20 1.01 -0.38 2.37 1.57 -1.37 0.59 116.57 120.56 1n8j h LYS 152 Ca 0.13 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1n8j h LYS 152 Cb 0.12 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1n8j h LYS 152 CO -0.15 0.70 -0.35 0.00 -0.57 0.00 0.00 179.45 179.08 1n8j h ALA 153 N 1.48 0.66 -0.53 3.86 0.00 -0.10 -1.53 119.26 123.09 1n8j h ALA 153 Ca 0.27 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1n8j h ALA 153 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1n8j h ALA 153 CO -0.05 0.67 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1n8j h ALA 154 N 0.87 0.79 -0.36 0.00 0.00 -0.07 -2.05 119.26 118.43 1n8j h ALA 154 Ca 0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1n8j h ALA 154 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1n8j h ALA 154 CO 0.09 0.67 -0.25 1.96 0.00 0.00 0.00 179.25 181.71 1n8j h GLN 155 N 0.89 0.73 -0.08 0.00 4.20 -0.82 -2.30 115.11 117.74 1n8j h GLN 155 Ca 0.14 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1n8j h GLN 155 Cb 0.68 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1n8j h GLN 155 CO 0.05 0.91 0.03 -0.92 -0.67 0.00 0.00 178.83 178.23 1n8j h TYR 156 N 0.63 0.12 0.00 2.96 3.20 -0.96 -1.70 116.97 121.21 1n8j h TYR 156 Ca 0.08 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1n8j h TYR 156 Cb 0.76 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1n8j h TYR 156 CO 0.04 0.21 -0.20 -0.39 -1.64 0.00 0.00 178.16 176.18 1n8j h VAL 157 N -0.01 0.79 -0.09 1.81 -1.51 -1.32 -0.59 116.25 115.32 1n8j h VAL 157 Ca 0.03 -0.78 -0.18 0.00 -1.23 0.00 0.00 66.70 64.54 1n8j h VAL 157 Cb 0.14 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1n8j h VAL 157 CO -0.00 0.19 -0.69 0.00 -1.23 0.00 0.00 177.57 175.84 1n8j h ALA 158 N 1.80 0.63 -0.01 5.19 0.00 -1.07 -3.18 119.26 122.62 1n8j h ALA 158 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1n8j h ALA 158 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1n8j h ALA 158 CO 0.03 0.75 -0.25 0.00 0.00 0.00 0.00 179.25 179.77 1n8j n ALA 159 N -2.51 3.08 -3.31 0.00 0.00 -0.67 -4.53 120.51 112.57 1n8j n ALA 159 Ca -0.04 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.68 1n8j n ALA 159 Cb 0.68 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N -0.36 -0.04 -1.71 0.00 -0.00 -0.27 -5.08 115.22 107.76 1n8j n HIS 160 Ca 0.13 -3.56 -0.43 0.00 -0.00 0.00 0.00 57.72 53.86 1n8j n HIS 160 Cb 0.38 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.99 30.17 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 1.84 2.32 0.00 -0.41 -0.02 -1.25 -1.77 135.00 135.71 1n8j n PRO 161 Ca 0.25 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 1n8j n PRO 161 Cb 0.50 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1n8j n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8j n GLY 162 N 1.34 1.12 3.57 -1.23 0.00 -1.26 -5.04 105.19 103.69 1n8j n GLY 162 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.64 2.40 0.05 1.61 2.02 -0.73 -3.46 118.70 119.96 1n8j s GLU 163 Ca 0.00 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.21 1n8j s GLU 163 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 1n8j s GLU 163 CO 0.00 0.57 -0.12 0.14 0.02 0.00 0.00 175.26 175.87 1n8j s VAL 164 N -1.04 0.96 -0.27 2.63 -7.23 -0.42 -4.75 120.40 110.28 1n8j s VAL 164 Ca 0.18 -1.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 1n8j s VAL 164 Cb -0.11 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1n8j s VAL 164 CO 0.09 -0.18 0.45 0.00 -0.31 0.00 0.00 175.10 175.15 1n8j s PRO 166 N 2.21 -0.77 0.44 0.00 0.02 -1.26 -4.87 135.00 130.77 1n8j s PRO 166 Ca 0.18 0.20 -0.25 0.00 0.02 0.00 0.00 61.00 61.15 1n8j s PRO 166 Cb -0.16 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 1n8j s PRO 166 CO 0.10 -3.47 1.39 0.00 -0.33 0.00 0.00 177.00 174.69 1n8j n ALA 167 N -4.64 1.86 -0.62 -1.55 0.00 -1.26 -1.97 120.51 112.33 1n8j n ALA 167 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1n8j n ALA 167 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N -0.14 0.00 -1.55 0.00 5.02 -1.26 -4.95 118.16 115.29 1n8j n LYS 168 Ca 0.06 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.88 1n8j n LYS 168 Cb 0.41 -3.43 -0.02 0.00 -0.02 0.00 0.00 35.03 31.97 1n8j n LYS 168 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1n8j n TRP 169 N -2.00 0.90 -4.06 2.13 -0.00 -0.83 -4.99 117.44 108.58 1n8j n TRP 169 Ca 0.00 0.76 -0.08 0.00 -0.00 0.00 0.00 57.50 58.19 1n8j n TRP 169 Cb 0.00 -2.19 -0.10 0.00 -0.00 0.00 0.00 31.31 29.02 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -1.20 0.55 -0.42 5.87 1.02 -1.26 -4.93 119.74 119.35 1n8j s LYS 170 Ca 0.63 -1.07 -0.38 0.00 0.02 0.00 0.00 55.97 55.17 1n8j s LYS 170 Cb -0.78 0.19 -0.14 0.00 -0.52 0.00 0.00 37.83 36.57 1n8j s LYS 170 CO 0.58 -0.10 2.19 0.39 -0.92 0.00 0.00 175.35 177.48 1n8j n GLU 171 N 0.46 0.65 0.00 1.68 -0.58 -1.26 -1.60 120.64 119.99 1n8j n GLU 171 Ca -0.16 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1n8j n GLU 171 Cb 0.60 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n8j n GLY 172 N 6.90 2.11 3.74 0.62 0.00 -1.26 -5.11 105.19 112.18 1n8j n GLY 172 Ca 0.47 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1n8j n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 173 N 0.00 1.46 0.43 1.61 2.02 -0.63 -5.00 118.70 118.60 1n8j s GLU 173 Ca 0.00 0.80 -0.23 0.00 0.02 0.00 0.00 54.97 55.56 1n8j s GLU 173 Cb 0.00 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.31 1n8j s GLU 173 CO 0.00 -2.09 1.08 0.00 0.02 0.00 0.00 175.26 174.26 1n8j s ALA 174 N -2.98 3.01 0.36 5.21 0.00 -1.26 -4.89 121.76 121.21 1n8j s ALA 174 Ca 0.63 0.75 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1n8j s ALA 174 Cb -0.17 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1n8j s ALA 174 CO 0.56 -0.36 0.36 0.25 0.00 0.00 0.00 175.76 176.57 1n8j n THR 175 N -0.37 0.00 -4.36 0.00 -2.24 -1.26 -4.75 114.28 101.29 1n8j n THR 175 Ca 0.07 -1.32 -0.24 0.00 -2.27 0.00 0.00 64.05 60.28 1n8j n THR 175 Cb 0.50 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 1n8j n THR 175 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8j s LEU 176 N 0.00 2.90 -0.36 3.22 1.43 -0.30 -4.97 118.68 120.61 1n8j s LEU 176 Ca 0.27 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1n8j s LEU 176 Cb -0.02 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.85 1n8j s LEU 176 CO 0.17 0.04 0.13 0.00 0.23 0.00 0.00 176.35 176.91 1n8j s ALA 177 N -2.27 2.13 0.13 4.21 0.00 -1.26 -1.31 121.76 123.39 1n8j s ALA 177 Ca 0.29 -2.20 -0.35 0.00 0.00 0.00 0.00 51.96 49.70 1n8j s ALA 177 Cb -0.06 -1.80 -0.15 0.00 0.00 0.00 0.00 23.12 21.10 1n8j s ALA 177 CO 0.17 -1.79 1.41 -2.30 0.00 0.00 0.00 175.76 173.25 1n8j n PRO 178 N 4.29 1.56 0.00 0.00 -0.02 -1.22 -4.89 135.00 134.71 1n8j n PRO 178 Ca 0.02 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1n8j n PRO 178 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1n8j n SER 179 N 2.75 1.72 -0.05 2.55 3.41 -1.26 -5.02 113.62 117.72 1n8j n SER 179 Ca 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.75 1n8j n SER 179 Cb 0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 1n8j n SER 179 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1n8j n LEU 180 N 0.00 0.00 -0.03 1.04 0.00 -1.26 -4.64 117.00 112.11 1n8j n LEU 180 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 1n8j n LEU 180 Cb 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 43.42 43.54 1n8j n LEU 180 CO 0.00 0.22 0.48 0.44 0.00 0.00 0.00 177.39 178.53 1n8j h ASP 181 N 0.00 0.16 0.00 1.96 3.45 -1.98 -3.13 116.42 116.89 1n8j h ASP 181 Ca -0.25 -0.70 0.00 0.00 0.43 0.00 0.00 57.03 56.52 1n8j h ASP 181 Cb 1.48 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 40.20 1n8j h ASP 181 CO 0.01 0.83 0.00 0.18 -1.57 0.00 0.00 179.24 178.69 1n8j n LEU 182 N -4.61 0.00 -4.60 1.55 4.77 -1.26 -4.48 117.00 108.37 1n8j n LEU 182 Ca -0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1n8j n LEU 182 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1n8j n LEU 182 CO 0.37 0.00 1.22 -0.69 -1.33 0.00 0.00 177.39 176.96 1n8j s VAL 183 N -1.96 3.92 0.00 4.08 1.01 -1.18 -3.15 120.40 123.11 1n8j s VAL 183 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1n8j s VAL 183 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1n8j s VAL 183 CO 0.00 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.86 1n8j n GLY 184 N 5.09 1.71 0.05 4.51 0.00 -1.26 -4.93 105.19 110.36 1n8j n GLY 184 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1n8j n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j h LYS 185 N 2.82 -0.09 0.00 1.61 1.57 -1.77 -3.55 116.57 117.16 1n8j h LYS 185 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1n8j h LYS 185 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n8j h LYS 185 CO 0.00 -0.06 0.00 -0.89 -0.57 0.00 0.00 179.45 177.93